bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium

C36H26BF10N — CID 22370886

IUPACbis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
SMILESC=Cc1ccc([B-](c2ccc(C=C)cc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.C[NH+](C)c1ccccc1
InChIInChI=1S/C28H14BF10.C8H11N/c1-3-13-5-9-15(10-6-13)29(16-11-7-14(4-2)8-12-16,17-19(30)23(34)27(38)24(35)20(17)31)18-21(32)25(36)28(39)26(37)22(18)33;1-9(2)8-6-4-3-5-7-8/h3-12H,1-2H2;3-7H,1-2H3/q-1;/p+1
InChIKeyNYTXKSVJNUACJE-UHFFFAOYSA-O
MW673.40 g/mol
LogP6.20
Rot. Bonds7

About bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium

bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium (PubChem CID 22370886) has the molecular formula C36H26BF10N and a molecular weight of 673.40 g/mol. Its IUPAC name is bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium.

Molecular Properties

Compound Namebis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
PubChem CID22370886
Molecular FormulaC36H26BF10N
Molecular Weight673.40 g/mol
Exact Mass673.20
IUPAC Namebis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium
SMILESC=Cc1ccc([B-](c2ccc(C=C)cc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.C[NH+](C)c1ccccc1
InChIInChI=1S/C28H14BF10.C8H11N/c1-3-13-5-9-15(10-6-13)29(16-11-7-14(4-2)8-12-16,17-19(30)23(34)27(38)24(35)20(17)31)18-21(32)25(36)28(39)26(37)22(18)33;1-9(2)8-6-4-3-5-7-8/h3-12H,1-2H2;3-7H,1-2H3/q-1;/p+1
InChIKeyNYTXKSVJNUACJE-UHFFFAOYSA-O
XLogP6.20
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.40
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(4-prop-2-enylphenyl)boranuide
CID 139690846
(4-ethenylphenyl)-triphenylboranuide;trimethylazanium
CID 22370909
dimethyl(phenyl)azanium;tris(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methoxysilylphenyl)boranuide
CID 173197853
sodium;chloro(diphenyl)-λ3-iodane;diphenyliodanium;bis((4-ethenylphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 159834004
dimethyl(phenyl)azanium;tetrakis(1,3,4,5,6-pentafluoronaphthalen-2-yl)boranuide
CID 164564276
sodium (2,3,4,5,6-pentafluorophenyl)-triphenylboranuide
CID 139835857
dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
CID 22370881
tetramethylazanium;tris(2,3,4,5,6-pentafluorophenyl)-phenylboranuide
CID 11498397
buta-1,3-diene;fluoromethane;styrene
CID 174915183
silver;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;toluene
CID 22335858
sodium;diphenyliodanium;bis(tris(4-ethenyl-2,3,5,6-tetrafluorophenyl)-(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 157128982
benzyl(dimethyl)azanium;(4-hydroxyphenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139950647

Frequently Asked Questions

What is the IUPAC name of bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium?
The IUPAC name of bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium (CID 22370886) is bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium.
What is the SMILES notation for bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium?
The canonical SMILES for bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium is C=Cc1ccc([B-](c2ccc(C=C)cc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)cc1.C[NH+](C)c1ccccc1.
What is the InChIKey of bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium?
The InChIKey is NYTXKSVJNUACJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H14BF10.C8H11N/c1-3-13-5-9-15(10-6-13)29(16-11-7-14(4-2)8-12-16,17-19(30)23(34)27(38)24(35)20(17)31)18-21(32)25(36)28(39)26(37)22(18)33;1-9(2)8-6-4-3-5-7-8/h3-12H,1-2H2;3-7H,1-2H3/q-1;/p+1.
What are the key properties of bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium?
bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium has a molecular weight of 673.40 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethenylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide;dimethyl(phenyl)azanium is sourced from PubChem (CID 22370886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).